N-(5-bromo-4-methylpentyl)acetamide

C8H16BrNO — CID 106157555

IUPACN-(5-bromo-4-methylpentyl)acetamide
SMILESCC(=O)NCCCC(C)CBr
InChIInChI=1S/C8H16BrNO/c1-7(6-9)4-3-5-10-8(2)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyBLFSSBXRPBBHRU-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.93
Rot. Bonds5

About N-(5-bromo-4-methylpentyl)acetamide

N-(5-bromo-4-methylpentyl)acetamide (PubChem CID 106157555) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)acetamide
PubChem CID106157555
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC NameN-(5-bromo-4-methylpentyl)acetamide
SMILESCC(=O)NCCCC(C)CBr
InChIInChI=1S/C8H16BrNO/c1-7(6-9)4-3-5-10-8(2)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyBLFSSBXRPBBHRU-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
CID 106157492
N-(5-bromo-4-methylpentyl)hexanamide
CID 106157334
N-(3-acetamidopropyl)acetamide
CID 5147555
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
N-[2-methyl-5-(methylamino)pentyl]acetamide
CID 162925431
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
CID 106158020
N-(5-bromo-4-methylpentyl)-2-phenylbutanamide
CID 106157795
2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane
CID 144530873
N-(5-bromo-4-methylpentyl)-1,4-dioxane-2-carboxamide
CID 106157418

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)acetamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)acetamide (CID 106157555) is N-(5-bromo-4-methylpentyl)acetamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)acetamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)acetamide is CC(=O)NCCCC(C)CBr.
What is the InChIKey of N-(5-bromo-4-methylpentyl)acetamide?
The InChIKey is BLFSSBXRPBBHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-7(6-9)4-3-5-10-8(2)11/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(5-bromo-4-methylpentyl)acetamide?
N-(5-bromo-4-methylpentyl)acetamide has a molecular weight of 222.13 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)acetamide is sourced from PubChem (CID 106157555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).